SCHEMBL22637487

SCHEMBL22637487

C[C@@H](N)c1nc(-c2cccc(F)c2)no1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.54
KCNT1 Q5JUK3 2/20 0.49
GRM5 P41594 5/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CA4 P22748 1/20 0.45
IDH1 O75874 1/20 0.44
DPP4 P27487 2/20 0.43
DPP7 Q9UHL4 1/20 0.43
PTPN1 P18031 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22637488 1.00 TP53 (0.54) TP53KCNT1GRM5RAB9ASMN1; SMN2
SCHEMBL22637913 1.00 TP53 (0.54) TP53KCNT1GRM5RAB9ASMN1; SMN2
SCHEMBL30102363 1.00 TP53 (0.54) TP53KCNT1GRM5RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28713697 0.99 TP53 (0.52) TP53KCNT1GRM5RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL29463434 0.99 TP53 (0.52) TP53KCNT1GRM5RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL22637875 0.99 TP53 (0.52) TP53KCNT1GRM5RAB9ASMN1; SMN2
SCHEMBL24660172 0.90 TP53 (0.52) TP53KCNT1GRM5RAB9ASMN1; SMN2
SCHEMBL29463444 0.90 TP53 (0.52) TP53KCNT1GRM5RAB9ASMN1; SMN2
SCHEMBL20853358 0.88 TP53 (0.56) TP53KCNT1GRM5RAB9ASMN1; SMN2
SCHEMBL14153157 0.85 GRM5 (0.51) TP53KCNT1GRM5RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-06-01 US disclosed
US-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-06-01 US disclosed
EP-4110317-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2023-01-04 EP disclosed
CN-115443129-A KCNT1 inhibitors and methods of use 普拉西斯精密医药公司 2022-12-06 CN disclosed
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 CN disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 EP disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 TP53 4492/4885KCNT1 1/4885GRM5 459/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 TP53 4492/4885KCNT1 1/4885GRM5 459/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.